[Wien] Regarding bandstructure

[Fecher, Gerhard]

use XCrysden to create your own path in k-space for the bandstructure plot

go to the Bilbao crystallographic server to see the Brillouin zone for your space group

follow the steps suggested by W2WEB

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von sikander Azam [sikander.physicst at gmail.com]
Gesendet: Mittwoch, 14. Oktober 2015 09:00
An: A Mailing list for WIEN2k users
Betreff: [Wien] Regarding bandstructure

Resp. all
I am facing one problem in calculating the band structure. I am using the wien2k code for my calculations, so when i calculated the band-structure it shows the direct band gap nature but the previously calculation where they use the Quantum-ESPRESSO code shows indirect band gap nature. I tried to plot with same symmetry points (VBM Y Z M G X) but unfortunately it does not exist with me. the structure is monoclinic (space group # 12).
So please help me.
Regards